SCHEMBL723165

SCHEMBL723165

O=C(NC1CCCCNC1=O)c1ccccc1C(F)(F)F

nearest known ligand 0.70

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.70
KDM4E B2RXH2 1/20 0.68
RAB9A P51151 2/20 0.54
CHEK1 O14757 1/20 0.52
NPC1 O15118 1/20 0.51
CCR2 P41597 5/20 0.50
MEN1 O00255 1/20 0.50
CYP1A2 P05177 1/20 0.50
KMT2A Q03164 1/20 0.50
BDKRB1 P46663 1/20 0.48
TACR2 P21452 1/20 0.48
TACR1 P25103 1/20 0.48
LMNA P02545 1/20 0.47
GAA P10253 1/20 0.47
CRBN Q96SW2 1/20 0.47
HCRTR1 O43613 1/20 0.46
TAS1R3 Q7RTX0 1/20 0.45
TAS1R1 Q7RTX1 1/20 0.45
TAS1R2 Q8TE23 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL14856188 0.96 ALDH1A1 (0.64) ALDH1A1KDM4ERAB9ACHEK1NPC1
SCHEMBL14856189 0.96 ALDH1A1 (0.64) ALDH1A1KDM4ERAB9ACHEK1NPC1
SCHEMBL13162947 0.81 ALDH1A1 (0.74) ALDH1A1KDM4ERAB9ACHEK1NPC1
SCHEMBL26008657 0.81 ALDH1A1 (1.00) ALDH1A1KDM4ERAB9ACHEK1NPC1
SCHEMBL14857155 0.80 ALDH1A1 (0.68) ALDH1A1KDM4ERAB9ACHEK1NPC1
SCHEMBL14857154 0.80 ALDH1A1 (0.68) ALDH1A1KDM4ERAB9ACHEK1NPC1
SCHEMBL5740904 0.79 CRBN (0.71) CRBN
SCHEMBL15087624 0.78 RAB9A (0.75) ALDH1A1KDM4ERAB9ACHEK1NPC1
SCHEMBL8381645 0.78 RAB9A (0.75) ALDH1A1KDM4ERAB9ACHEK1NPC1
SCHEMBL14856587 0.76 RAB9A (0.61) ALDH1A1KDM4ERAB9ANPC1MEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120053171-A1 Nitrogen-Containing Fused Heterocyclic Compounds and Their use as Beta Amyloid Production Inhibitors EISAI R&D MANAGEMENT CO., LTD., (JP) 2012-03-01 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120053171-A1 Nitrogen-Containing Fused Heterocyclic Compounds and Their use as Beta Amyloid Production Inhibitors BACE1, APP, PSEN1 ALDH1A1 3158/4885KDM4E 3198/4885RAB9A 1997/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.